diethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride

C19H28ClN3O3 — CID 54750247

IUPACdiethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride
SMILESCCCn1c(=O)c(C(=O)NCC[NH+](CC)CC)c(O)c2ccccc21.[Cl-]
InChIInChI=1S/C19H27N3O3.ClH/c1-4-12-22-15-10-8-7-9-14(15)17(23)16(19(22)25)18(24)20-11-13-21(5-2)6-3;/h7-10,23H,4-6,11-13H2,1-3H3,(H,20,24);1H
InChIKeyYBDDAWBZQUBMQF-UHFFFAOYSA-N
MW381.90 g/mol
LogP-2.22
Rot. Bonds8

About diethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride

diethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride (PubChem CID 54750247) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is diethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride.

Molecular Properties

Compound Namediethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride
PubChem CID54750247
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC Namediethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride
SMILESCCCn1c(=O)c(C(=O)NCC[NH+](CC)CC)c(O)c2ccccc21.[Cl-]
InChIInChI=1S/C19H27N3O3.ClH/c1-4-12-22-15-10-8-7-9-14(15)17(23)16(19(22)25)18(24)20-11-13-21(5-2)6-3;/h7-10,23H,4-6,11-13H2,1-3H3,(H,20,24);1H
InChIKeyYBDDAWBZQUBMQF-UHFFFAOYSA-N
XLogP-2.22
TPSA75.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 5-2.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze diethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride with MolForge

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Related Compounds

4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54706310
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54688406
2-hydroxyethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium
CID 54697176
3-acetyl-4-hydroxy-1-propylquinolin-2-one
CID 54711259
N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide
CID 54685665
1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
CID 54682638
N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54702818
1-butyl-N-[(2-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54708137
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54706880
4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54684059
N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54687815
N-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 98171561

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride?
The IUPAC name of diethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride (CID 54750247) is diethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride.
What is the SMILES notation for diethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride?
The canonical SMILES for diethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride is CCCn1c(=O)c(C(=O)NCC[NH+](CC)CC)c(O)c2ccccc21.[Cl-].
What is the InChIKey of diethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride?
The InChIKey is YBDDAWBZQUBMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3.ClH/c1-4-12-22-15-10-8-7-9-14(15)17(23)16(19(22)25)18(24)20-11-13-21(5-2)6-3;/h7-10,23H,4-6,11-13H2,1-3H3,(H,20,24);1H.
What are the key properties of diethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride?
diethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride has a molecular weight of 381.90 g/mol, XLogP of -2.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride is sourced from PubChem (CID 54750247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).